@MOLECULE 2-amino-1,5-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one 17 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.2308 2.6419 -0.0102 O.2 1 UNL1 -0.4257 2 N 0.6890 -1.4249 0.0388 N.ar 1 UNL1 -0.4999 3 N -1.7832 -1.6184 -0.0059 N.2 1 UNL1 -0.3908 4 N 1.5947 0.8153 0.0388 N.ar 1 UNL1 -0.6072 5 N 3.0293 -1.0381 -0.0848 N.pl3 1 UNL1 -0.6076 6 C -0.7930 0.4985 0.0057 C.ar 1 UNL1 -0.3354 7 C -2.2719 0.7037 -0.0106 C.3 1 UNL1 -0.2871 8 C -0.5674 -0.8637 0.0093 C.ar 1 UNL1 0.3209 9 C -2.7581 -0.7422 -0.0161 C.2 1 UNL1 0.1182 10 C 0.3144 1.4405 0.0051 C.ar 1 UNL1 0.6149 11 C 1.7544 -0.4824 0.0186 C.ar 1 UNL1 0.5648 12 H -2.6139 1.2729 -0.8992 H 1 UNL1 0.1974 13 H -2.6348 1.2735 0.8689 H 1 UNL1 0.1970 14 H 0.8189 -2.4206 -0.0695 H 1 UNL1 0.3394 15 H -3.8041 -1.0185 -0.0278 H 1 UNL1 0.1789 16 H 3.2240 -1.8928 0.4010 H 1 UNL1 0.2971 17 H 3.7922 -0.3692 -0.0734 H 1 UNL1 0.3253 @BOND 1 12 7 1 2 5 17 1 3 5 11 1 4 5 16 1 5 14 2 1 6 15 9 1 7 9 7 1 8 9 3 2 9 7 6 1 10 7 13 1 11 1 10 2 12 3 8 1 13 10 6 ar 14 10 4 ar 15 6 8 ar 16 8 2 ar 17 11 4 ar 18 11 2 ar